Molecule

ID:15493

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c1-11(2,3)10(15)13-9-6-12-5-4-8(9)7-14/h4-7H,1-3H3,(H,13,15)
InChIKey
DGVSJDANXUJTRG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccncc1NC(=O)C(C)(C)C
Isomeric Smiles
C(=O)(C(C)(C)C)Nc1cnccc1C=O
Calculated Properties
JChem
Acid pKa
11.67916
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1547809
LogD (pH = 7.4)
2.155294
Log P
2.1553226
Molar Refractivity
59.0505
Polarizability
21.7402
Polar Surface Area
59.06
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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